SCHEMBL13108709

SCHEMBL13108709

CCOc1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccc(OCC)cc5)c(-c5ccc(OCC)cc5)n4)cc3)nc2-c2ccc(OCC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.53
▸ TP53 P04637 4/20 0.53
▸ XDH P47989 1/20 0.51
▸ NQO1 P15559 1/20 0.48
▸ MAPT P10636 5/20 0.48
▸ CACNA2D1 P54289 3/20 0.48
▸ KDM4E B2RXH2 6/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ HPGD P15428 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ HSD17B10 Q99714 4/20 0.44
▸ GAA P10253 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ MPI P34949 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10940970 0.90 ALDH1A1 (0.44) ALDH1A1TP53XDHNQO1MAPT
SCHEMBL10943076 0.89 MAPT (0.44) ALDH1A1TP53XDHNQO1MAPT
SCHEMBL11483014 0.83 NQO1 (0.48) ALDH1A1TP53XDHNQO1MAPT
SCHEMBL11247874 0.83 CACNA2D1 (0.55) ALDH1A1TP53NQO1MAPTCACNA2D1
SCHEMBL13108716 0.82 ALDH1A1 (0.47) ALDH1A1MAPTKDM4ENPC1SMN1; SMN2
SCHEMBL11241755 0.81 CACNA2D1 (0.47) ALDH1A1TP53XDHNQO1MAPT
SCHEMBL11863432 0.81 CACNA2D1 (0.48) ALDH1A1TP53XDHNQO1MAPT
SCHEMBL13108714 0.80 ALDH1A1 (0.56) ALDH1A1TP53XDHMAPTKDM4E
SCHEMBL1305539 0.80 ALDH1A1 (0.56) ALDH1A1TP53XDHMAPTKDM4E
SCHEMBL11469872 0.80 CACNA2D1 (0.48) ALDH1A1TP53NQO1MAPTCACNA2D1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816520-B2 Such as 1,4-Bis[5,6-(4,4'-dihydroxy)-diphenyl-1,2,4-triazin-3-yl]benzene; cosmetics for human skin, hair PIERRE FABRE DERMO-COSMETIQUE (FR) 2010-10-19 — — US disclosed
US-20080267892-A1 Such as 1,4-Bis[5,6-(4,4'-dihydroxy)-diphenyl-1,2,4-triazin-3-yl]benzene; cosmetics for human skin, hair PIERRE FABRE DERMO-COSMETIQUE (FR) 2008-10-30 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080267892-A1 Such as 1,4-Bis[5,6-(4,4'-dihydroxy)-diphenyl-1,2,4-triazin-3-yl]benzene; cosmetics for human skin, hair TYR, H1-0, TELO2 ALDH1A1 785/4885TP53 137/4885XDH 542/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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